SCHEMBL9718408

SCHEMBL9718408

O=C(O)CCC(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccccc3F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 1/20 0.59
GRIA4 P48058 2/20 0.52
TAAR1 Q96RJ0 1/20 0.50
TBXA2R P21731 4/20 0.47
TBXAS1 P24557 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
PRMT1 Q99873 2/20 0.45
MME P08473 1/20 0.45
KAT6A Q92794 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9659259 0.85 ALDH1A1 (0.71) ALDH1A1MAPTTAAR1TBXA2RTBXAS1
SCHEMBL9718418 0.84 TAAR1 (0.63) ALDH1A1MAPTTAAR1TBXA2RTBXAS1
SCHEMBL10463031 0.81 ALDH1A1 (0.64) ALDH1A1MAPTTAAR1TBXA2RTBXAS1
SCHEMBL7505744 0.80 SMN1; SMN2 (0.67) ALDH1A1MAPTMMEKMT2ANPSR1
SCHEMBL9660574 0.80 ALDH1A1 (0.68) ALDH1A1MAPTTBXA2RTBXAS1MEN1
SCHEMBL9661175 0.80 ALDH1A1 (0.62) ALDH1A1MAPTTBXA2RTBXAS1MEN1
SCHEMBL9659280 0.80 TBXA2R (0.70) ALDH1A1MAPTTBXA2RTBXAS1PRMT1
SCHEMBL9659378 0.77 LSS (0.60) ALDH1A1MAPTTBXA2RTBXAS1CA1
SCHEMBL10463108 0.76 ALDH1A1 (0.60) ALDH1A1MAPTTAAR1TBXA2RTBXAS1
SCHEMBL9718380 0.75 TBXAS1 (0.63) ALDH1A1MAPTTBXA2RTBXAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260527-B1 SYNERGETIC COMBINATION COMPRISING A PHOSPHODIESTERASE INHIBITOR AND A THROMBOXAN-A2-ANTAGONIST, AND THEIR USE OR MANUFACTURE Dr. Karl Thomae GmbH (DE) 1992-04-01 EP disclosed